超临界CO2萃取植物挥发油的传质模型

运用数学模型对超临界CO₂萃取天然产物的传质过程进行模拟,对于预测工业化规模的萃取条件具有重要的指导意义。阐述了超临界CO₂萃取植物精油过程中传质模型的机理、分类及特点,着重比较了几种重要的微分质量平衡传质模型：两相模型、紧缩核浸取模型、完整和破碎细胞模型以及多组分逻辑模型,并对不同模型的应用范围进行了讨论。     

ZrO2陶瓷注射成型超临界CO2流体脱脂动力学研究

用传统扩散方程建立了描述ZrO2陶瓷注射成型超临界流体脱脂过程的传质模型,研究分析了陶瓷注射成型超临界流体脱脂行为和脱脂的动力学过程。研究结果表明：有机粘合剂的溶解和扩散是陶瓷注射成型超临界脱脂过程关键因素,其中扩散为控制步骤。当脱脂时间足够长,模型计算曲线与实验结果吻合。通过实验数据,利用简单的理论模型可以得到相应的扩散系数。利用传质模型可以预测陶瓷注射成型超临界脱脂过程传质速率和萃取动力学。     

两步扩散模型对超临界CO2萃取丁香油的数值模拟

基于扩散模型方程和集总参数模型方程,首次建立了具有3个可调参数的两步扩散模型方程.该模型同时考虑固体颗粒内扩散阻力与内壁的阻力,能较好地描述超临界流体萃取过程.用两步扩散模型方程模拟了超临界CO<,2>萃取丁香油的动态过程,在实验温度与压力范围内模型计算值与实验数据的平均相对误差AARD在2.33%～19.48%之间,所有实验点的AARD为8.09%.而用扩散模型方程和集总参数模型方程模拟,所有实验点的AARD分别为17.51%和8.13%,表明两步扩散模型对于超临界CO<,2>萃取丁香油的传质过程的模拟效果优于扩散模型方程和集总参数模型方程.     

超声强化超临界流体萃取的数学模型

在传质理论和质量守恒原理的基础上,建立了超声强化超临界流体萃取(USFE)植物药有效成分的数学模型;确立了用于估算超声强化超临界流体萃取的产物得率的方法;获得了USFE及超临界流体萃取(SFE)过程的体积传质系数和固相内扩散系数。模型与实验结果模拟最大误差小于10%。该模型既证实了超声对SFE有强化效应,又对USFE和SFE过程有很好的预测功能,为工业化提供了理论依据。     

超临界流体萃取筛板塔中二氧化碳/醇/水体系流体力学特性和传质性能的初步研究

在内径25mm的连续逆流超临界流体萃取筛板塔中,对超临界二氧化碳/乙醇/水和二氧化碳/异丙醇/水2种体系的流体力学特性和传质性能进行了实验研究;对实验数据进行了分析处理,得到了描述超临界流体萃取筛板塔流动特性的关联式,应用柱塞流模型对超临界流体萃取筛板塔的传质性能进行了模拟计算.     

生物质超临界气化制氢产物高压吸收法分离的气液相平衡分析

通过高压吸收法可以将生物质超临界水气化制氢的气体产物中的CO₂与H₂分离.基于修正的UNIFAC模型、SRK状态方程以及MHV2混合规则，建立了生物质超临界气化制氢产物高压吸收法分离的气液相平衡的计算模型，讨论了CO₂与H₂分离过程中压力和温度等参数对分离效果的影响.计算结果表明：随着分离器中压力的升高，气相产物中H2的摩尔分数增加，CO₂摩尔分数迅速下降，气相中H₂的收率不断降低；随着温度升高，气相产物中H₂的摩尔分数减小，CO₂摩尔分数上升，气相中H₂的收率增加；然而，高压吸收的方法不能将气体产物中的CO、CH₄、C₂H₄、C₂H₆与H₂分离.     

超临界流体萃取筛板塔中二氧化碳/醇/水体系流体力学特性和传质性能的初步研究

在内径25mm的连续逆流超临界流体萃取筛板塔中,对超临界二氧化碳/乙醇/水和二氧化碳/异丙醇/水2种体系的流体力学特性和传质性能进行了实验研究;对实验数据进行了分析处理,得到了描述超临界流体萃取筛板塔流动特性的关联式,应用柱塞流模型对超临界流体萃取筛板塔的传质性能进行了模拟计算.     

超临界流体增强聚酯薄膜中的质量传递

聚合物中杂质/挥分的存在对聚合物的终端使用将产生负面影响,因此必须将其除去.传统的脱挥方法效率有限,使用超临界流体技术可增强脱挥效率.测定了温度为343 K、压力为30 MPa、CO₂流量为4.0 L&#8226;min^-1条件下,PET聚酯薄膜中的乙二醇单体挥分含量与时间的关系,以研究聚合物系超临界流体脱挥过程中的质量传递规律;根据传质理论建立了一个理想的超临界流体脱挥过程的质量传递模型,并用该模型分析处理实验数据,结果表明该模型较好地反映了聚合物系超临界流体脱挥过程的基本特征.     

Saccharomyces cerevisiae在加压和超临界CO2中的变化

引言 超临界萃取过程在制药、食品、中药和天然产物提取等领域有广泛的应用前景,其中二氧化碳是最常用的超临界溶剂[1-2].作为过程强化的一种手段,使用超临界流体在线萃取抑制性的发酵产物,可提高底物的转化率和产物的收率.然而,加压或超临界CO2对微生物存活率和代谢活性有副作用[3-4].     

超临界CO2萃取丁香油的数值模拟

为了预测超临界CO₂萃取挥发油动态过程,根据挥发油在超临界CO₂与物料之间的质量传递平衡,采用集总参数法建立超临界CO₂萃取丁香油过程的数学模型。结合不同温度、压力、粒径和CO₂流速条件下的实验结果,对方程进行了合理的简化,并利用实验数据拟合出模型中CO₂密度、粒径和流速的系数。验证结果表明模型的计算值和实验值的平均相对误差在6. 88%～57. 78%之间,建立的数值模型能较好地描述实际的超临界CO₂萃取丁香油行为。     

超临界流体萃取动力学模型(Ⅰ)

综述了目前用超临界流体从植物体中萃取油脂成分的萃取过程机理，建立了模型的假设条件以及不同籽油的萃取动力学模型，分析了传质过程的推动力和阻力、体积传质通量的表达式以及模型参数的计算和关联。     

A MATHEMATICAL MODEL OF SUPERCRITICAL METHYLAMINE (SCM) DELIGNIFICATION OF WOOD

An unsteady-state mathematical model describing supercritical fluid (SCF) delignification of wood in a packed bed was developed. Equations describing intraparticle supercritical methyl-amine reaction with lignin, and subsequent transport of the methylamine-lignin complex into the bulk phase were derived and solved using orthogonal collocation. Model results for the case of supercritical methylamine are presented and compared with experimental results. Simulation results correctly predicted the experimental results. Sensitivity of methylamine extraction of lignin was evaluated by varying bulk fluid velocity, mass transfer coefficient, and particle diameter. Delignification was a strong function of particle diameter and a relatively weaker function of fluid velocity and mass transfer coefficient. The Thiele modulus and Biot number showed that delignification was reaction rate limited for wood particle diameter values ≤ 0.1 cm, but delignification was limited by intra-particle mass transfer for wood particle diameter values ≥ 1.0 cm.     

Mathematical modelling of essential oil SFE on the micro-scale—Classification of plant material

This article reports the achievements of the micro-scale (secretory-structure-scale) mathematical modelling of essential oil isolation by supercritical carbon dioxide. Some new experimental and modelling results are presented. The improved model for the supercritical fluid extraction from the glandular trichomes (peltate glands) is introduced. According to the behavior of plant secretory structures during the extraction as well as according to the modelling results, plant material was classified according to the dominant resistance to mass transfer during the extraction process. External mass transfer was the rate limiting step in the extraction from plants with secretory ducts and secretory cavities of citrus family. In the case of extraction from secretory cells, internal diffusion was the rate limiting step. In the extraction from glandular trichomes, external mass transfer, as well as diffusion through the gland membrane influenced the process.     

超临界流体萃取塔的应用设计及理论研究

设计了超临界流体萃取塔系统，并对其流体力学特性和传质性能进行了研究，为工业设计提供了理论依据。在连续逆流操作的超临界填料萃取塔、筛板萃取塔和喷淋萃取塔中，应用超临界二氧化碳-异丙醇-水、超临界二氧化碳-乙醇-水两种实验体系对流体力学模型和传质模型进行了实验验证，计算结果与实验数据符合较好。     

微波动态循环阶段连续逆流提取二氢杨梅素

引言 微波提取是一项新型的中药有效成分提取技术,具有加热速度快、能耗低、提取效率高等优点[1-3].动态循环阶段连续逆流提取是一种增大传质推动力、提高提取效率的提取技术[4].它是将多个提取单元科学组合,使单位时间内固液两相保持较高的浓度差,从而提高提取效率.     

超临界CO2萃取大黄总蒽醌工艺研究

对大黄游离蒽醌的超临界萃取工艺进行了优化,确定最优萃取工艺条件为:静萃取时间60 m in,动萃取时间30 m in,夹带剂乙醇相对大黄用量3 mL/g,萃取温度45℃,萃取压力45 MPa。然后分别采用无机酸和生物酶对大黄结合蒽醌进行水解,以提取总蒽醌。结果表明:当盐酸浓度为5 mol/L,淀粉酶质量浓度为2 g/L,纤维素酶质量浓度为1 g/L时,大黄结合蒽醌的糖苷键达到最优水解,此时总蒽醌质量分数分别为2.46%、2.33%和2.23%。     

Experimental and Modeling Investigation of Supercritical Extraction of Mannitol from Olive Leaves

The experimental feasibility of mannitol extraction from olive leaves using supercritical carbon dioxide was investigated. The experimental data indicated that increasing the pressure from 200 to 350 bar and decreasing the temperature from 80 to 40 °C resulted in an enhancement of the extraction yield and reduced the partition coefficient significantly. In addition, increasing the extraction time from 10 to 90 min increased the extraction yield, while further increases up to 180 min did not cause any further change. Ethanol was utilized as an entrainer and the maximum extraction yield was obtained using 20 % of ethanol. Moreover, modeling of the supercritical fluid extraction was carried out with the relevant mass transfer mechanisms involved in the supercritical and solid phases, and the appropriate numerical method of finite difference. The numerical results show that the model with three adjustable parameters is capable of predicting the experimental data very well.     

Mathematical Modeling of Supercritical Extraction of Valerenic Acid from Valeriana officinalis L.

The dynamic behavior of supercritical fluid extraction (SFE) of valerenic acid (VA) from valerian (Valeriana officinalis L.) roots was studied by mathematical modeling. The extraction yield of VA was considered as the most desirable compound among the other extracted constituents. A two‐phase desorption model was developed by considering a diffusion controlled regime in the particle and axial dispersion in the bed. The mass transfer parameters, i.e., pore diffusivity, film mass transfer coefficient and axial dispersion, along with the solubility parameters were chosen as the model parameters. The first three mass transfer parameters were predicted using nondimensional equations from the literature. The solubility equation and the parameters were studied using different equilibrium models, i.e., Henry, Langmuir, Freundlich, Langmuir‐Freundlich (L‐F) and Toth isotherms. The equilibrium parameters were correlated by comparing the outlet results of the dynamic SFE model with experiments. The experimental yield of the VA extraction was obtained at a pressure of 15.0–36.0 MPa, temperature of 310–334 K, solvent flow rate of 0.50–1.10 · 10^–6 m³/min and different particle sizes ranging from 0.18–2.00 · 10^–3 m in diameter, at a 20 min constant static period, in the presence of 46.9 μL/g ethanol as the co‐solvent, followed by dynamic time extraction for up to 50 min. From the results, the mathematical model using the L‐F equation exhibited the best agreement with the experimental yield of VA extraction in the range of studied conditions. The present model can be applied to design and scale up the SFE process of VA from Valeriana officinalis L. roots.     

Mass transfer enhancement in supercritical fluid extraction by acoustic waves

A computational fluid dynamics model of extraction of a solute (caffeine) from a porous solid matrix (coffee beans) using a supercritical solvent (carbon dioxide) is developed. Supercritical fluid extraction of a solute from a solid matrix is a slow process even when solute free solvent is circulated. The use of acoustic waves represents a potential efficient way of enhancing mass transfer processes. The effect of acoustically excited flows on supercritical fluid extraction from a porous solid matrix is investigated. The mathematical model considers diffusion-controlled regime in the porous solid matrix and convective-diffusive transport in the bulk fluid. Henry's law is used to describe the equilibrium states of the solid and the fluid phases. Accurate representation of the thermo-physical properties of supercritical solvent is considered by using the NIST Standard Reference Database 12. The conservation equations for mass, momentum, energy and species are numerically solved using implicit finite volume method. The effect of process parameters, such as initial state (pressure and temperature) of solvent and acoustic waves on the yield of solute extraction is also investigated numerically.